Bolek: A Multimodal Language Model for Molecular Reasoning
Molecular property models increasingly support high-stakes drug-discovery decisions, but their outputs are often difficult to audit: classical predictors return scores without rationale, while language models can produce fluent explanations weakly grounded in the input molecule. We introduce Bolek, a compact multimodal language model that grounds natural-language reasoning in molecular structure by injecting a Morgan fingerprint embedding into an instruction-tuned text decoder. Bolek is fine-tuned on molecular alignment tasks, including molecule description, RDKit descriptor prediction, and substructure detection, and on downstream reasoning over 15 TDC binary classification tasks using s...
| Authors | Frederic Grabowski, Jacek Szczerbiński, Maciej Jaśkowski et al. |
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| Primary category | cs.LG |
| Published | 4 May 2026 |
| Last updated at source | 4 May 2026 |
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